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Ethyl-2,3-dibrompropionat
ETHYL 2,3-DIBROMOPROPANOATE · 2,3-dibroMopentanoate · Ethyl 2,3-dibroMopropi · Ethyl 2,3-dibromopronate · Ethyl 2,3-dibromopropiote · ETHYL 2,3-DIBROMOPROPIONATE · Ethyl2,3-Dibromopropionate>Ethyl 2,3-dibromo-propionoate · Ethyl 2,3-dibromopropionate,99%
Identifikatoren & physikalische Daten
| CAS No. | 3674-13-3 |
|---|---|
| Summenformel | C5H8Br2O2 |
| Durchschnittliche Molmasse | 259,92 g/mol |
| Monoisotopische Masse | 257,8891037 g/mol |
| SMILES | CCOC(=O)C(Br)CBr |
| InChIKey | OENICUBCLXKLJQ-UHFFFAOYSA-N |
| PubChem CID | 97945 |
| EC No. | 222-941-8 |
| DTXSID | DTXSID80871038 |
| Lokaler Name | Ethyl-2,3-dibrompropionat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 95 |
| Siedepunkt | 211-214 °C/746 mmHg (lit.) |
| Dichte | 1.788 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5(lit.) |
| Flammpunkt | 197 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.785 |
| Löslichkeit | Insoluble |
| BRN | 636046 |
| InChI | InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3 |
| InChIKey | OENICUBCLXKLJQ-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(Br)CBr |
| CAS Datenbank | 3674-13-3(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2,3-dibromo-, ethyl ester(3674-13-3) |
| EPA chemische Informationen | Ethyl 2,3-dibromopropionate (3674-13-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311 (37.7%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P260, P262, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24693Ethyl 2,3-dibromopropionate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2922 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | UA2458382 |
| R-Sätze (R) | 22-24-34 |
| Toxizität | LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Ethyl 2,3-dibromopropionate is used as pharmaceutical Intermediates. It is a building block that has been used as a catalyst for the polymerization of ethyl acrylate.